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Theoretical Study of NO Dissociative Adsorption onto 3d Metal Particles M(55) (M = Fe, Co, Ni, and Cu): Relation between the Reactivity and Position of the Metal Element in the Periodic Table
[Image: see text] NO dissociative adsorption onto 3d metal particles M(55) (M = Fe, Co, Ni, and Cu) was investigated theoretically using density functional theory computations. A transition state exists at higher energy in the Cu case but at lower energy in the Fe, Co, and Ni cases than the reactant...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7905950/ https://www.ncbi.nlm.nih.gov/pubmed/33644596 http://dx.doi.org/10.1021/acsomega.0c05838 |